Chemical Properties of 4,6-dithia-1,8-nonadiene (CAS 18068-26-3)

InChI

InChI=1S/C7H12S2/c1-3-5-8-7-9-6-4-2/h3-4H,1-2,5-7H2

InChI Key

QTUCHGYIDKFWSU-UHFFFAOYSA-N

Formula

C7H12S2

SMILES

C=CCSCSCC=C

Molecular Weight¹

160.30

CAS

18068-26-3

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2498		Relay (... Calculated Property
ΔfG°	249.98	kJ/mol	Joback Calculated Property
ΔfH°gas	77.32	kJ/mol	Relay (... Calculated Property
ΔfusH°	19.59	kJ/mol	Joback Calculated Property
ΔvapH°	59.49	kJ/mol	Relay (... Calculated Property
IE	8.51	eV	Relay (... Calculated Property
log10WS	-2.77		Relay (... Calculated Property
logPoct/wat	2.782		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	3184.73	kPa	Joback Calculated Property
Inp	[1193.00; 1193.00]
Inp	1193.00		NIST
Inp	1193.00		NIST
Tboil	491.85	K	Relay (... Calculated Property
Tc	689.24	K	Relay (... Calculated Property
Tfus	226.96	K	Relay (... Calculated Property
Vc	0.437	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.19; 323.97]	J/mol×K	[490.48; 709.02]
Cp,gas	261.19	J/mol×K	490.48	Joback Calculated Property
Cp,gas	273.20	J/mol×K	526.90	Joback Calculated Property
Cp,gas	284.57	J/mol×K	563.33	Joback Calculated Property
Cp,gas	295.32	J/mol×K	599.75	Joback Calculated Property
Cp,gas	305.46	J/mol×K	636.17	Joback Calculated Property
Cp,gas	315.01	J/mol×K	672.60	Joback Calculated Property
Cp,gas	323.97	J/mol×K	709.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,6-dithia-1,8-nonadiene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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